nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium

C57H66N6NiO16U2-11 — CID 139143539

IUPACnickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium
SMILESO=C([O-])CCCCCCCC(=O)[O-].O=C([O-])CCCCCCCC(=O)[O-].O=C([O-])CCCCCCCC(=O)[O-].[Ni+3].[O-2].[O-2].[O-2].[O-2].[U].[U].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.3C9H16O4.Ni.4O.2U/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*10-8(11)6-4-2-1-3-5-7-9(12)13;;;;;;;/h3*1-8H;3*1-7H2,(H,10,11)(H,12,13);;;;;;;/q;;;;;;+3;4*-2;;/p-6
InChIKeyNBSSMEVHLHFOHI-UHFFFAOYSA-H
MW1625.93 g/mol
LogP3.60
Rot. Bonds27

About nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium

nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium (PubChem CID 139143539) has the molecular formula C57H66N6NiO16U2-11 and a molecular weight of 1625.93 g/mol. Its IUPAC name is nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium.

Molecular Properties

Compound Namenickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium
PubChem CID139143539
Molecular FormulaC57H66N6NiO16U2-11
Molecular Weight1625.93 g/mol
Exact Mass1624.50
IUPAC Namenickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium
SMILESO=C([O-])CCCCCCCC(=O)[O-].O=C([O-])CCCCCCCC(=O)[O-].O=C([O-])CCCCCCCC(=O)[O-].[Ni+3].[O-2].[O-2].[O-2].[O-2].[U].[U].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.3C9H16O4.Ni.4O.2U/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*10-8(11)6-4-2-1-3-5-7-9(12)13;;;;;;;/h3*1-8H;3*1-7H2,(H,10,11)(H,12,13);;;;;;;/q;;;;;;+3;4*-2;;/p-6
InChIKeyNBSSMEVHLHFOHI-UHFFFAOYSA-H
XLogP3.60
TPSA432.12 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001625.93
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium?
The IUPAC name of nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium (CID 139143539) is nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium.
What is the SMILES notation for nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium?
The canonical SMILES for nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium is O=C([O-])CCCCCCCC(=O)[O-].O=C([O-])CCCCCCCC(=O)[O-].O=C([O-])CCCCCCCC(=O)[O-].[Ni+3].[O-2].[O-2].[O-2].[O-2].[U].[U].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium?
The InChIKey is NBSSMEVHLHFOHI-UHFFFAOYSA-H. The full InChI is InChI=1S/3C10H8N2.3C9H16O4.Ni.4O.2U/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*10-8(11)6-4-2-1-3-5-7-9(12)13;;;;;;;/h3*1-8H;3*1-7H2,(H,10,11)(H,12,13);;;;;;;/q;;;;;;+3;4*-2;;/p-6.
What are the key properties of nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium?
nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium has a molecular weight of 1625.93 g/mol, XLogP of 3.60, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(3+);tris(nonanedioate);tetrakis(oxygen(2-));tris(2-pyridin-2-ylpyridine);uranium is sourced from PubChem (CID 139143539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).